SCHEMBL4046040

SCHEMBL4046040

CC(C)Cc1nc2sc3c(=O)[nH]cnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.74
POLB P06746 2/20 0.74
KDM4E B2RXH2 8/20 0.57
TDP1 Q9NUW8 2/20 0.57
HKDC1 Q2TB90 1/20 0.57
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4D Q08499 3/20 0.53
ALDH1A1 P00352 8/20 0.53
NPSR1 Q6W5P4 4/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 1/20 0.46
RXFP1 Q9HBX9 2/20 0.42
ADRB2 P07550 2/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4045649 0.83 KDM4E (0.55) HPGDPOLBKDM4ETDP1HKDC1
SCHEMBL4046251 0.80 PDE4B (0.61) HPGDPOLBKDM4EPDE4APDE4B
SCHEMBL4046467 0.78 KDM4E (0.61) HPGDPOLBKDM4ETDP1HKDC1
SCHEMBL5245426 0.78 KDM4E (0.61) HPGDPOLBKDM4ETDP1HKDC1
SCHEMBL4047111 0.77 KDM4E (0.60) HPGDPOLBKDM4ETDP1HKDC1
SCHEMBL4044859 0.76 ALDH1A1 (0.74) HPGDKDM4ETDP1HKDC1PDE4A
SCHEMBL4048972 0.76 PDE4A (0.56) HPGDPOLBKDM4ETDP1HKDC1
SCHEMBL4047943 0.76 PDE4A (0.56) HPGDPOLBKDM4ETDP1HKDC1
SCHEMBL4050152 0.74 KDM4E (0.56) HPGDPOLBKDM4ETDP1HKDC1
SCHEMBL4049691 0.73 KDM4E (0.57) HPGDPOLBKDM4ETDP1HKDC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD HPGD 35/4885POLB 378/4885KDM4E 1600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.